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In vitro anti-Leishmania activity and molecular docking of spiro-acridine compounds as potential multitarget agents against Leishmania infantum.
- Source :
-
Bioorganic & medicinal chemistry letters [Bioorg Med Chem Lett] 2021 Oct 01; Vol. 49, pp. 128289. Date of Electronic Publication: 2021 Jul 24. - Publication Year :
- 2021
-
Abstract
- Leishmaniasis is an infectious disease with several limitations regarding treatment schemes. This work reports the anti-Leishmania activity of spiroacridine compounds against the promastigote (IC <subscript>50</subscript>  = 1.1 to 6.0 µg / mL) and amastigote forms of the best compounds (EC <subscript>50</subscript>  = 4.9 and 0.9 µg / mL) inLeishmania (L.) infantumand proposes an in-silico study with possible selective therapeutic targets for L. infantum. The substituted dimethyl-amine compound (AMTAC 11) showed the best leishmanicidal activity in vitro, and was found to interact with TryRandLdTopoI. comparisons with standard inhibitors were performed, and its main interactions were elucidated. Based on the biological assessment and the structure-activity relationship study, the spiroacridine compounds appear to be promisinganti-leishmaniachemotherapeutic agents to be explored.<br /> (Copyright © 2021 Elsevier Ltd. All rights reserved.)
- Subjects :
- Acridines chemical synthesis
Acridines metabolism
Acridines toxicity
DNA Topoisomerases, Type I metabolism
Erythrocytes drug effects
Leishmania infantum drug effects
Ligands
Molecular Docking Simulation
Molecular Structure
NADH, NADPH Oxidoreductases metabolism
Parasitic Sensitivity Tests
Protein Binding
Protozoan Proteins metabolism
Spiro Compounds chemical synthesis
Spiro Compounds metabolism
Spiro Compounds toxicity
Structure-Activity Relationship
Trypanocidal Agents chemical synthesis
Trypanocidal Agents metabolism
Trypanocidal Agents toxicity
Acridines pharmacology
Spiro Compounds pharmacology
Trypanocidal Agents pharmacology
Subjects
Details
- Language :
- English
- ISSN :
- 1464-3405
- Volume :
- 49
- Database :
- MEDLINE
- Journal :
- Bioorganic & medicinal chemistry letters
- Publication Type :
- Academic Journal
- Accession number :
- 34311084
- Full Text :
- https://doi.org/10.1016/j.bmcl.2021.128289